2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid

C14H10ClFO3 — CID 107171000

IUPAC2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)c(Cl)c2)cc1F
InChIInChI=1S/C14H10ClFO3/c1-8-2-3-10(7-13(8)16)19-9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18)
InChIKeyAGESCCAWCSPNHX-UHFFFAOYSA-N
MW280.68 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid

2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid (PubChem CID 107171000) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
PubChem CID107171000
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)c(Cl)c2)cc1F
InChIInChI=1S/C14H10ClFO3/c1-8-2-3-10(7-13(8)16)19-9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18)
InChIKeyAGESCCAWCSPNHX-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
4-(4-bromo-3,5-dimethylphenoxy)-2-chlorobenzoic acid
CID 107726797
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
4-(4-tert-butylphenoxy)-2-chlorobenzoic acid
CID 63512968
2-chloro-4-(2,3,5-trimethylphenoxy)benzoic acid
CID 63514015
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
1-[2-amino-4-(3-fluoro-4-methylphenoxy)phenyl]ethanone
CID 107168510
4-(4-bromo-2-fluorophenoxy)-2-chlorobenzoic acid
CID 62946581
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid (CID 107171000) is 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid is Cc1ccc(Oc2ccc(C(=O)O)c(Cl)c2)cc1F.
What is the InChIKey of 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid?
The InChIKey is AGESCCAWCSPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-8-2-3-10(7-13(8)16)19-9-4-5-11(14(17)18)12(15)6-9/h2-7H,1H3,(H,17,18).
What are the key properties of 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid?
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid has a molecular weight of 280.68 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid is sourced from PubChem (CID 107171000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).